Summary

IMPPAT Phytochemical identifier: IMPHY016727

Phytochemical name: Menthalactone, analytical standard

Synonymous chemical names:
menthalactone

External chemical identifiers:
CID:59824267, SureChEMBL:SCHEMBL14026643

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Chemical structure information

SMILES:
CC1CC=C2C(C1)OC(=O)C2C

InChI:
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h4,6-7,9H,3,5H2,1-2H3

InChIKey:
NOSVNHVKMHWUAI-UHFFFAOYSA-N

DeepSMILES:
CCCC=CCC6)OC=O)C5C

Functional groups:
CC=C(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2=CCCCC2O1

Scaffold Graph/Node level:
OC1CC2CCCCC2O1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.257

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Chemical structure download